Cr2P3O10
Alexandria ALEXAlex-ID: agm003239083 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C10_5_spg11
CrPO4 Cr2P2O7 Cr(PO3)3
2021-12-23 21:36:27.449795
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003239083).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm003239083
data_agm003239083
_cell_length_a 8.56678
_cell_length_b 4.71851
_cell_length_c 9.05888
_cell_angle_alpha 80.96049
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 361.63399
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Cr1 Cr 0.56729 0.94497 0.32644 1.00000
Cr2 Cr 0.93271 0.94497 0.32644 1.00000
Cr3 Cr 0.43271 0.05503 0.67356 1.00000
Cr4 Cr 0.06729 0.05503 0.67356 1.00000
P1 P 0.75000 0.51967 0.14393 1.00000
P2 P 0.75000 0.39777 0.53731 1.00000
P3 P 0.25000 0.48033 0.85607 1.00000
P4 P 0.25000 0.32501 0.18613 1.00000
P5 P 0.25000 0.60223 0.46269 1.00000
P6 P 0.75000 0.67499 0.81387 1.00000
O1 O 0.09931 0.76656 0.48902 1.00000
O2 O 0.60088 0.84109 0.79198 1.00000
O3 O 0.10088 0.15891 0.20802 1.00000
O4 O 0.75000 0.20056 0.22647 1.00000
O5 O 0.75000 0.47199 0.97040 1.00000
O6 O 0.90069 0.23344 0.51098 1.00000
O7 O 0.89912 0.84109 0.79198 1.00000
O8 O 0.25000 0.79944 0.77353 1.00000
O9 O 0.25000 0.57413 0.29009 1.00000
O10 O 0.39912 0.15891 0.20802 1.00000
O11 O 0.09905 0.33028 0.82623 1.00000
O12 O 0.59931 0.23344 0.51098 1.00000
O13 O 0.90095 0.66972 0.17377 1.00000
O14 O 0.40095 0.33028 0.82623 1.00000
O15 O 0.75000 0.70658 0.44609 1.00000
O16 O 0.25000 0.52801 0.02960 1.00000
O17 O 0.40069 0.76656 0.48902 1.00000
O18 O 0.75000 0.42587 0.70991 1.00000
O19 O 0.25000 0.29342 0.55391 1.00000
O20 O 0.59905 0.66972 0.17377 1.00000
